4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine

C13H22N4O — CID 72915884

IUPAC4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCOCC1(CNc2cc(C(C)C)nc(N)n2)CC1
InChIInChI=1S/C13H22N4O/c1-9(2)10-6-11(17-12(14)16-10)15-7-13(4-5-13)8-18-3/h6,9H,4-5,7-8H2,1-3H3,(H3,14,15,16,17)
InChIKeyZEJQMNSJRAHVPQ-UHFFFAOYSA-N
MW250.35 g/mol
LogP2.02
Rot. Bonds6

About 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine

4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine (PubChem CID 72915884) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine
PubChem CID72915884
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine
SMILESCOCC1(CNc2cc(C(C)C)nc(N)n2)CC1
InChIInChI=1S/C13H22N4O/c1-9(2)10-6-11(17-12(14)16-10)15-7-13(4-5-13)8-18-3/h6,9H,4-5,7-8H2,1-3H3,(H3,14,15,16,17)
InChIKeyZEJQMNSJRAHVPQ-UHFFFAOYSA-N
XLogP2.02
TPSA73.06 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine (CID 72915884) is 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine is COCC1(CNc2cc(C(C)C)nc(N)n2)CC1.
What is the InChIKey of 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine?
The InChIKey is ZEJQMNSJRAHVPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-9(2)10-6-11(17-12(14)16-10)15-7-13(4-5-13)8-18-3/h6,9H,4-5,7-8H2,1-3H3,(H3,14,15,16,17).
What are the key properties of 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine?
4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine has a molecular weight of 250.35 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[[1-(methoxymethyl)cyclopropyl]methyl]-6-propan-2-ylpyrimidine-2,4-diamine is sourced from PubChem (CID 72915884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).