N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine

C17H32N4 — CID 65293634

IUPACN,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine
SMILESCCN(CC)c1nc(C)c(CC(C)CNC(C)C)c(C)n1
InChIInChI=1S/C17H32N4/c1-8-21(9-2)17-19-14(6)16(15(7)20-17)10-13(5)11-18-12(3)4/h12-13,18H,8-11H2,1-7H3
InChIKeyLDSOMTHHTHHHRL-UHFFFAOYSA-N
MW292.47 g/mol
LogP3.12
Rot. Bonds8

About N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine

N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine (PubChem CID 65293634) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine
PubChem CID65293634
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC NameN,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine
SMILESCCN(CC)c1nc(C)c(CC(C)CNC(C)C)c(C)n1
InChIInChI=1S/C17H32N4/c1-8-21(9-2)17-19-14(6)16(15(7)20-17)10-13(5)11-18-12(3)4/h12-13,18H,8-11H2,1-7H3
InChIKeyLDSOMTHHTHHHRL-UHFFFAOYSA-N
XLogP3.12
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine?
The IUPAC name of N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine (CID 65293634) is N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine.
What is the SMILES notation for N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine?
The canonical SMILES for N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine is CCN(CC)c1nc(C)c(CC(C)CNC(C)C)c(C)n1.
What is the InChIKey of N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine?
The InChIKey is LDSOMTHHTHHHRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H32N4/c1-8-21(9-2)17-19-14(6)16(15(7)20-17)10-13(5)11-18-12(3)4/h12-13,18H,8-11H2,1-7H3.
What are the key properties of N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine?
N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine has a molecular weight of 292.47 g/mol, XLogP of 3.12, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-4,6-dimethyl-5-[2-methyl-3-(propan-2-ylamino)propyl]pyrimidin-2-amine is sourced from PubChem (CID 65293634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).