4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid

C16H26N4O4 — CID 154909057

IUPAC4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid
SMILESCOc1cc(OC)nc(NCC2(CN3CCCC3)CC2)n1.O=CO
InChIInChI=1S/C15H24N4O2.CH2O2/c1-20-12-9-13(21-2)18-14(17-12)16-10-15(5-6-15)11-19-7-3-4-8-19;2-1-3/h9H,3-8,10-11H2,1-2H3,(H,16,17,18);1H,(H,2,3)
InChIKeyOKYHRQGIABWWAL-UHFFFAOYSA-N
MW338.41 g/mol
LogP1.48
Rot. Bonds7

About 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid

4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid (PubChem CID 154909057) has the molecular formula C16H26N4O4 and a molecular weight of 338.41 g/mol. Its IUPAC name is 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid.

Molecular Properties

Compound Name4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid
PubChem CID154909057
Molecular FormulaC16H26N4O4
Molecular Weight338.41 g/mol
Exact Mass338.20
IUPAC Name4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid
SMILESCOc1cc(OC)nc(NCC2(CN3CCCC3)CC2)n1.O=CO
InChIInChI=1S/C15H24N4O2.CH2O2/c1-20-12-9-13(21-2)18-14(17-12)16-10-15(5-6-15)11-19-7-3-4-8-19;2-1-3/h9H,3-8,10-11H2,1-2H3,(H,16,17,18);1H,(H,2,3)
InChIKeyOKYHRQGIABWWAL-UHFFFAOYSA-N
XLogP1.48
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4,6-dimethoxy-N-[(1-methoxycyclobutyl)methyl]pyrimidin-2-amine
CID 114119677
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]cyclopentan-1-ol
CID 115355172
4,6-dimethoxy-N-[(1-methylcyclopentyl)methyl]pyrimidin-2-amine
CID 115355130
N-[(1-ethylcyclopentyl)methyl]-4-methoxy-6-methylpyrimidin-2-amine
CID 114125759
N-(1-ethylcyclobutyl)-4,6-dimethoxypyrimidin-2-amine
CID 113488860
1-[[(4,6-dimethoxypyrimidin-2-yl)amino]methyl]-3-methylcyclohexan-1-ol
CID 115355176
5-(4-methoxyphenyl)-N-[[1-(piperidin-1-ylmethyl)cyclopropyl]methyl]-1,2-oxazole-3-carboxamide
CID 91957229
2-[1-[[(6-methoxy-2-methylpyrimidin-4-yl)amino]methyl]cyclobutyl]acetic acid
CID 81162300
4,6-dimethoxy-N-[(1-methylpiperidin-2-yl)methyl]pyrimidin-2-amine
CID 115355065
N-[(1-ethylcyclobutyl)methyl]-6-methoxy-2-methylpyrimidin-4-amine
CID 114108518
3-[(4-methoxy-6-methylpyrimidin-2-yl)amino]-1-pyrrolidin-1-ylpropan-1-one
CID 112691011
N-(cyclopentylmethyl)-4,6-dimethoxypyrimidin-2-amine
CID 113278339

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid?
The IUPAC name of 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid (CID 154909057) is 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid.
What is the SMILES notation for 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid?
The canonical SMILES for 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid is COc1cc(OC)nc(NCC2(CN3CCCC3)CC2)n1.O=CO.
What is the InChIKey of 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid?
The InChIKey is OKYHRQGIABWWAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2.CH2O2/c1-20-12-9-13(21-2)18-14(17-12)16-10-15(5-6-15)11-19-7-3-4-8-19;2-1-3/h9H,3-8,10-11H2,1-2H3,(H,16,17,18);1H,(H,2,3).
What are the key properties of 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid?
4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid has a molecular weight of 338.41 g/mol, XLogP of 1.48, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethoxy-N-[[1-(pyrrolidin-1-ylmethyl)cyclopropyl]methyl]pyrimidin-2-amine;formic acid is sourced from PubChem (CID 154909057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).