propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate

C19H26N6O2 — CID 133470303

IUPACpropan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate
SMILESCNc1cc(N2CCCC2CNc2ncccc2C(=O)OC(C)C)ncn1
InChIInChI=1S/C19H26N6O2/c1-13(2)27-19(26)15-7-4-8-21-18(15)22-11-14-6-5-9-25(14)17-10-16(20-3)23-12-24-17/h4,7-8,10,12-14H,5-6,9,11H2,1-3H3,(H,21,22)(H,20,23,24)
InChIKeyQTCSMISLHBHSQW-UHFFFAOYSA-N
MW370.46 g/mol
LogP2.56
Rot. Bonds7

About propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate

propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate (PubChem CID 133470303) has the molecular formula C19H26N6O2 and a molecular weight of 370.46 g/mol. Its IUPAC name is propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate
PubChem CID133470303
Molecular FormulaC19H26N6O2
Molecular Weight370.46 g/mol
Exact Mass370.21
IUPAC Namepropan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate
SMILESCNc1cc(N2CCCC2CNc2ncccc2C(=O)OC(C)C)ncn1
InChIInChI=1S/C19H26N6O2/c1-13(2)27-19(26)15-7-4-8-21-18(15)22-11-14-6-5-9-25(14)17-10-16(20-3)23-12-24-17/h4,7-8,10,12-14H,5-6,9,11H2,1-3H3,(H,21,22)(H,20,23,24)
InChIKeyQTCSMISLHBHSQW-UHFFFAOYSA-N
XLogP2.56
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate with MolForge

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Related Compounds

3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
CID 146089677
N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 146087317
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
(2R)-2-[[(2S)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 100838473
(2S)-2-[[(2R)-1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]-2-phenylacetamide
CID 95764406
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
3,3-difluoro-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]butanamide
CID 136536244
N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 146089483
4-(2-methoxyphenyl)-N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrimidin-2-amine
CID 146107455
N-methyl-6-[2-[[[phenyl(pyridin-2-yl)methyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
CID 166204057

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate (CID 133470303) is propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate is CNc1cc(N2CCCC2CNc2ncccc2C(=O)OC(C)C)ncn1.
What is the InChIKey of propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate?
The InChIKey is QTCSMISLHBHSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N6O2/c1-13(2)27-19(26)15-7-4-8-21-18(15)22-11-14-6-5-9-25(14)17-10-16(20-3)23-12-24-17/h4,7-8,10,12-14H,5-6,9,11H2,1-3H3,(H,21,22)(H,20,23,24).
What are the key properties of propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate?
propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate has a molecular weight of 370.46 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate is sourced from PubChem (CID 133470303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).