1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine

C17H29N5 — CID 72875863

IUPAC1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine
SMILESCCCc1cc(N2CCC(N[C@@H]3CCNC3)CC2)nc(C)n1
InChIInChI=1S/C17H29N5/c1-3-4-15-11-17(20-13(2)19-15)22-9-6-14(7-10-22)21-16-5-8-18-12-16/h11,14,16,18,21H,3-10,12H2,1-2H3/t16-/m1/s1
InChIKeyQCMOLYADAHDZER-MRXNPFEDSA-N
MW303.45 g/mol
LogP1.66
Rot. Bonds5

About 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine

1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine (PubChem CID 72875863) has the molecular formula C17H29N5 and a molecular weight of 303.45 g/mol. Its IUPAC name is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine.

Molecular Properties

Compound Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine
PubChem CID72875863
Molecular FormulaC17H29N5
Molecular Weight303.45 g/mol
Exact Mass303.24
IUPAC Name1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine
SMILESCCCc1cc(N2CCC(N[C@@H]3CCNC3)CC2)nc(C)n1
InChIInChI=1S/C17H29N5/c1-3-4-15-11-17(20-13(2)19-15)22-9-6-14(7-10-22)21-16-5-8-18-12-16/h11,14,16,18,21H,3-10,12H2,1-2H3/t16-/m1/s1
InChIKeyQCMOLYADAHDZER-MRXNPFEDSA-N
XLogP1.66
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Jnj-39758979
CID 24994634
4-Cyclopentyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 24797604
4-Cyclopentyl-6-(piperazin-1-yl)-pyrimidin-2-ylamine
CID 24798144
4-[(4aR,7aR)-1,2,3,4,4a,5,7,7a-octahydropyrrolo[3,4-b]pyridin-6-yl]-6-cyclopentylpyrimidin-2-amine
CID 24798232
4-cyclopentyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24994542
4-cyclobutyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 53257796
4-[(3R)-3-aminopyrrolidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 59777338
4-cyclohexyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 59777341
2,4-Dimethyl-6-(piperazin-1-yl)pyrimidine
CID 4778269
4-t-Butyl-6-(4-methylpiperazin-1-yl)pyrimidin-2-ylamine
CID 24797775
4-butyl-6-[(3R)-3-(methylamino)pyrrolidin-1-yl]pyrimidin-2-amine
CID 24992077
4-[(3R)-3-aminopiperidin-1-yl]-6-cyclopentylpyrimidin-2-amine
CID 24994630

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine?
The IUPAC name of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine (CID 72875863) is 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine.
What is the SMILES notation for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine?
The canonical SMILES for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine is CCCc1cc(N2CCC(N[C@@H]3CCNC3)CC2)nc(C)n1.
What is the InChIKey of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine?
The InChIKey is QCMOLYADAHDZER-MRXNPFEDSA-N. The full InChI is InChI=1S/C17H29N5/c1-3-4-15-11-17(20-13(2)19-15)22-9-6-14(7-10-22)21-16-5-8-18-12-16/h11,14,16,18,21H,3-10,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine?
1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine has a molecular weight of 303.45 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-6-propylpyrimidin-4-yl)-N-[(3R)-pyrrolidin-3-yl]piperidin-4-amine is sourced from PubChem (CID 72875863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).