4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine

C18H31N5O — CID 97206452

IUPAC4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(NCCCC[C@H]3CCCO3)CC2)nc(N)n1
InChIInChI=1S/C18H31N5O/c1-14-13-17(22-18(19)21-14)23-10-7-15(8-11-23)20-9-3-2-5-16-6-4-12-24-16/h13,15-16,20H,2-12H2,1H3,(H2,19,21,22)/t16-/m0/s1
InChIKeyNMSOLTCWNQIIJZ-INIZCTEOSA-N
MW333.48 g/mol
LogP2.27
Rot. Bonds7

About 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine

4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine (PubChem CID 97206452) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
PubChem CID97206452
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine
SMILESCc1cc(N2CCC(NCCCC[C@H]3CCCO3)CC2)nc(N)n1
InChIInChI=1S/C18H31N5O/c1-14-13-17(22-18(19)21-14)23-10-7-15(8-11-23)20-9-3-2-5-16-6-4-12-24-16/h13,15-16,20H,2-12H2,1H3,(H2,19,21,22)/t16-/m0/s1
InChIKeyNMSOLTCWNQIIJZ-INIZCTEOSA-N
XLogP2.27
TPSA76.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 72916033
4-[3-(methylamino)pyrrolidin-1-yl]-6-[[(2R)-oxolan-2-yl]methyl]pyrimidin-2-amine
CID 24995881
4-methyl-6-[4-[(3-piperidin-1-ylphenyl)methylamino]piperidin-1-yl]pyrimidin-2-amine
CID 169075715
4-(2-ethylmorpholin-4-yl)-6-methylpyrimidin-2-amine
CID 112726117
4-methyl-6-(4-propylpiperidin-1-yl)pyrimidin-2-amine
CID 79478769
4-[4-[(3-methoxyphenyl)methylamino]piperidin-1-yl]-6-methylpyrimidin-2-amine
CID 169075730
2,6-dimethyl-N-[4-(oxolan-2-yl)butyl]pyridine-4-carboxamide
CID 131899729
1-(2-amino-6-methylpyrimidin-4-yl)piperidin-4-ol
CID 112724371
4-(azocan-1-yl)-6-methylpyrimidin-2-amine
CID 11521403
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
N-[4-(oxolan-2-yl)butyl]piperidin-4-amine;dihydrochloride
CID 154890824
1-(6-ethyl-2-pyrrolidin-1-ylpyrimidin-4-yl)-N-[[(2R)-oxolan-2-yl]methyl]piperidin-4-amine
CID 97281088

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine (CID 97206452) is 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine is Cc1cc(N2CCC(NCCCC[C@H]3CCCO3)CC2)nc(N)n1.
What is the InChIKey of 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine?
The InChIKey is NMSOLTCWNQIIJZ-INIZCTEOSA-N. The full InChI is InChI=1S/C18H31N5O/c1-14-13-17(22-18(19)21-14)23-10-7-15(8-11-23)20-9-3-2-5-16-6-4-12-24-16/h13,15-16,20H,2-12H2,1H3,(H2,19,21,22)/t16-/m0/s1.
What are the key properties of 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine?
4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine has a molecular weight of 333.48 g/mol, XLogP of 2.27, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-[4-[4-[(2S)-oxolan-2-yl]butylamino]piperidin-1-yl]pyrimidin-2-amine is sourced from PubChem (CID 97206452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).