N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

C20H29N7O2S — CID 146089483

IUPACN-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)ncn1
InChIInChI=1S/C20H29N7O2S/c1-21-19-12-20(25-15-24-19)27-11-5-6-16(27)13-22-18-8-7-17(14-23-18)30(28,29)26-9-3-2-4-10-26/h7-8,12,14-16H,2-6,9-11,13H2,1H3,(H,22,23)(H,21,24,25)
InChIKeyBIAYPJOYIBUQDN-UHFFFAOYSA-N
MW431.57 g/mol
LogP2.17
Rot. Bonds7

About N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 146089483) has the molecular formula C20H29N7O2S and a molecular weight of 431.57 g/mol. Its IUPAC name is N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID146089483
Molecular FormulaC20H29N7O2S
Molecular Weight431.57 g/mol
Exact Mass431.21
IUPAC NameN-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCCC2CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)ncn1
InChIInChI=1S/C20H29N7O2S/c1-21-19-12-20(25-15-24-19)27-11-5-6-16(27)13-22-18-8-7-17(14-23-18)30(28,29)26-9-3-2-4-10-26/h7-8,12,14-16H,2-6,9-11,13H2,1H3,(H,22,23)(H,21,24,25)
InChIKeyBIAYPJOYIBUQDN-UHFFFAOYSA-N
XLogP2.17
TPSA103.35 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.57
LogP ≤ 52.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N,N-dimethyl-6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxamide
CID 146087317
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carboxamide
CID 146089677
6-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridazine-3-carbonitrile
CID 146084662
N-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methyl]pyrido[2,3-b]pyrazin-6-amine
CID 133301785
[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methanol
CID 80795011
6-(2-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 104693081
6-[(2S)-2-ethylpiperidin-1-yl]-N-methylpyrimidin-4-amine
CID 129372140
5-piperidin-1-ylsulfonyl-N-prop-2-ynylpyridin-2-amine
CID 9251897
propan-2-yl 2-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyridine-3-carboxylate
CID 133470303
3-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylamino]pyrazine-2-carbonitrile
CID 146075842
1-[[1-[6-(methylamino)pyrimidin-4-yl]pyrrolidin-2-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004296
N-(2-cycloheptyloxyethyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133308701

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 146089483) is N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCCC2CNc2ccc(S(=O)(=O)N3CCCCC3)cn2)ncn1.
What is the InChIKey of N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is BIAYPJOYIBUQDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N7O2S/c1-21-19-12-20(25-15-24-19)27-11-5-6-16(27)13-22-18-8-7-17(14-23-18)30(28,29)26-9-3-2-4-10-26/h7-8,12,14-16H,2-6,9-11,13H2,1H3,(H,22,23)(H,21,24,25).
What are the key properties of N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 431.57 g/mol, XLogP of 2.17, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[2-[[(5-piperidin-1-ylsulfonyl-2-pyridinyl)amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 146089483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).