N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

C17H23N5 — CID 171995113

IUPACN,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3cccnc3C)C2)ncn1
InChIInChI=1S/C17H23N5/c1-13-9-17(20-12-19-13)21(3)16-6-8-22(11-16)10-15-5-4-7-18-14(15)2/h4-5,7,9,12,16H,6,8,10-11H2,1-3H3
InChIKeyGCYWNPUYNPSDFI-UHFFFAOYSA-N
MW297.41 g/mol
LogP2.20
Rot. Bonds4

About N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine

N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (PubChem CID 171995113) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
PubChem CID171995113
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC NameN,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(Cc3cccnc3C)C2)ncn1
InChIInChI=1S/C17H23N5/c1-13-9-17(20-12-19-13)21(3)16-6-8-22(11-16)10-15-5-4-7-18-14(15)2/h4-5,7,9,12,16H,6,8,10-11H2,1-3H3
InChIKeyGCYWNPUYNPSDFI-UHFFFAOYSA-N
XLogP2.20
TPSA45.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine (CID 171995113) is N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is Cc1cc(N(C)C2CCN(Cc3cccnc3C)C2)ncn1.
What is the InChIKey of N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
The InChIKey is GCYWNPUYNPSDFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-9-17(20-12-19-13)21(3)16-6-8-22(11-16)10-15-5-4-7-18-14(15)2/h4-5,7,9,12,16H,6,8,10-11H2,1-3H3.
What are the key properties of N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine?
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 2.20, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 171995113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).