(2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine

C17H32N4 — CID 70166607

IUPAC(2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine
SMILESCC1C=CC2=C(N1)N(C)CN(CCCC[C@@H](C)N(C)C)C2
InChIInChI=1S/C17H32N4/c1-14-9-10-16-12-21(13-20(5)17(16)18-14)11-7-6-8-15(2)19(3)4/h9-10,14-15,18H,6-8,11-13H2,1-5H3/t14?,15-/m1/s1
InChIKeySMSKOZMXRLKORH-YSSOQSIOSA-N
MW292.47 g/mol
LogP2.07
Rot. Bonds6

About (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine

(2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine (PubChem CID 70166607) has the molecular formula C17H32N4 and a molecular weight of 292.47 g/mol. Its IUPAC name is (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine.

Molecular Properties

Compound Name(2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine
PubChem CID70166607
Molecular FormulaC17H32N4
Molecular Weight292.47 g/mol
Exact Mass292.26
IUPAC Name(2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine
SMILESCC1C=CC2=C(N1)N(C)CN(CCCC[C@@H](C)N(C)C)C2
InChIInChI=1S/C17H32N4/c1-14-9-10-16-12-21(13-20(5)17(16)18-14)11-7-6-8-15(2)19(3)4/h9-10,14-15,18H,6-8,11-13H2,1-5H3/t14?,15-/m1/s1
InChIKeySMSKOZMXRLKORH-YSSOQSIOSA-N
XLogP2.07
TPSA21.75 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.47
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine?
The IUPAC name of (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine (CID 70166607) is (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine.
What is the SMILES notation for (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine?
The canonical SMILES for (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine is CC1C=CC2=C(N1)N(C)CN(CCCC[C@@H](C)N(C)C)C2.
What is the InChIKey of (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine?
The InChIKey is SMSKOZMXRLKORH-YSSOQSIOSA-N. The full InChI is InChI=1S/C17H32N4/c1-14-9-10-16-12-21(13-20(5)17(16)18-14)11-7-6-8-15(2)19(3)4/h9-10,14-15,18H,6-8,11-13H2,1-5H3/t14?,15-/m1/s1.
What are the key properties of (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine?
(2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine has a molecular weight of 292.47 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-6-(1,7-dimethyl-2,4,7,8-tetrahydropyrido[2,3-d]pyrimidin-3-yl)-N,N-dimethylhexan-2-amine is sourced from PubChem (CID 70166607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).