N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

C15H23N7O — CID 95764410

IUPACN-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@H]2CN[C@H](C)c2nnc(C)o2)ncn1
InChIInChI=1S/C15H23N7O/c1-10(15-21-20-11(2)23-15)17-8-12-5-4-6-22(12)14-7-13(16-3)18-9-19-14/h7,9-10,12,17H,4-6,8H2,1-3H3,(H,16,18,19)/t10-,12+/m1/s1
InChIKeyHATKXZQJMCDCPK-PWSUYJOCSA-N
MW317.40 g/mol
LogP1.53
Rot. Bonds6

About N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine

N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (PubChem CID 95764410) has the molecular formula C15H23N7O and a molecular weight of 317.40 g/mol. Its IUPAC name is N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
PubChem CID95764410
Molecular FormulaC15H23N7O
Molecular Weight317.40 g/mol
Exact Mass317.20
IUPAC NameN-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine
SMILESCNc1cc(N2CCC[C@H]2CN[C@H](C)c2nnc(C)o2)ncn1
InChIInChI=1S/C15H23N7O/c1-10(15-21-20-11(2)23-15)17-8-12-5-4-6-22(12)14-7-13(16-3)18-9-19-14/h7,9-10,12,17H,4-6,8H2,1-3H3,(H,16,18,19)/t10-,12+/m1/s1
InChIKeyHATKXZQJMCDCPK-PWSUYJOCSA-N
XLogP1.53
TPSA92.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The IUPAC name of N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine (CID 95764410) is N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is CNc1cc(N2CCC[C@H]2CN[C@H](C)c2nnc(C)o2)ncn1.
What is the InChIKey of N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
The InChIKey is HATKXZQJMCDCPK-PWSUYJOCSA-N. The full InChI is InChI=1S/C15H23N7O/c1-10(15-21-20-11(2)23-15)17-8-12-5-4-6-22(12)14-7-13(16-3)18-9-19-14/h7,9-10,12,17H,4-6,8H2,1-3H3,(H,16,18,19)/t10-,12+/m1/s1.
What are the key properties of N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine?
N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine has a molecular weight of 317.40 g/mol, XLogP of 1.53, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-[(2S)-2-[[[(1R)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]amino]methyl]pyrrolidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 95764410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).