2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine

C19H33N5 — CID 95871420

IUPAC2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1N[C@H]1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C19H33N5/c1-4-6-16-13-20-15(2)21-19(16)22-17-7-5-10-24(14-17)18-8-11-23(3)12-9-18/h13,17-18H,4-12,14H2,1-3H3,(H,20,21,22)/t17-/m0/s1
InChIKeyCOYUNXAYDGMERP-KRWDZBQOSA-N
MW331.51 g/mol
LogP2.71
Rot. Bonds5

About 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine

2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine (PubChem CID 95871420) has the molecular formula C19H33N5 and a molecular weight of 331.51 g/mol. Its IUPAC name is 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine
PubChem CID95871420
Molecular FormulaC19H33N5
Molecular Weight331.51 g/mol
Exact Mass331.27
IUPAC Name2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine
SMILESCCCc1cnc(C)nc1N[C@H]1CCCN(C2CCN(C)CC2)C1
InChIInChI=1S/C19H33N5/c1-4-6-16-13-20-15(2)21-19(16)22-17-7-5-10-24(14-17)18-8-11-23(3)12-9-18/h13,17-18H,4-12,14H2,1-3H3,(H,20,21,22)/t17-/m0/s1
InChIKeyCOYUNXAYDGMERP-KRWDZBQOSA-N
XLogP2.71
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.51
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-4-(5-propyl-2-pyrimidinyl)tetrahydro-1(2H)-pyrazinecarbothioamide
CID 2811495
2-methyl-N-(1-methyl-2-pyrazin-2-ylethyl)-5-propylpyrimidin-4-amine
CID 50951797
N-(2-azepan-1-ylethyl)-5-ethyl-2-methylpyrimidin-4-amine
CID 50971967
5-ethyl-N~4~-(2-piperidin-1-ylethyl)pyrimidine-2,4-diamine
CID 72922646
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CID 2796028
5-Propyl-2-[4-(5-propylpyrimidin-2-yl)piperazin-1-yl]pyrimidine
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5,6,7,8-Tetrahydropyrido[2,3-d]pyrimidin-2-amine
CID 13404586
2-Methyl-5-propyl-4-(4-pyrrolidin-1-ylpiperidin-1-yl)pyrimidine
CID 50975563
1-Methyl-9-(2-methyl-5-propylpyrimidin-4-yl)-1,4,9-triazaspiro[5.5]undecan-5-one
CID 56752109
1-(2-methyl-5-propylpyrimidin-4-yl)-N-(tetrahydro-2H-pyran-4-yl)piperidin-4-amine
CID 72873384
5-Propyl-4-[4-(4-pyrazin-2-ylpiperazin-1-yl)piperidin-1-yl]pyrimidine
CID 72885098
5-ethyl-N-(2-methyl-2-piperidin-1-ylpropyl)pyrimidin-2-amine
CID 72902480

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine?
The IUPAC name of 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine (CID 95871420) is 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine.
What is the SMILES notation for 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine?
The canonical SMILES for 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine is CCCc1cnc(C)nc1N[C@H]1CCCN(C2CCN(C)CC2)C1.
What is the InChIKey of 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine?
The InChIKey is COYUNXAYDGMERP-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H33N5/c1-4-6-16-13-20-15(2)21-19(16)22-17-7-5-10-24(14-17)18-8-11-23(3)12-9-18/h13,17-18H,4-12,14H2,1-3H3,(H,20,21,22)/t17-/m0/s1.
What are the key properties of 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine?
2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine has a molecular weight of 331.51 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(3S)-1-(1-methylpiperidin-4-yl)piperidin-3-yl]-5-propylpyrimidin-4-amine is sourced from PubChem (CID 95871420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).