4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine

C15H24N4O2 — CID 91766556

IUPAC4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N[C@@H]2COCC[C@@H]2OCC2CC2)n1
InChIInChI=1S/C15H24N4O2/c1-10-7-14(19-15(16-2)17-10)18-12-9-20-6-5-13(12)21-8-11-3-4-11/h7,11-13H,3-6,8-9H2,1-2H3,(H2,16,17,18,19)/t12-,13+/m1/s1
InChIKeyKDFSHSHRLAAAJU-OLZOCXBDSA-N
MW292.38 g/mol
LogP1.82
Rot. Bonds6

About 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine

4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine (PubChem CID 91766556) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
PubChem CID91766556
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine
SMILESCNc1nc(C)cc(N[C@@H]2COCC[C@@H]2OCC2CC2)n1
InChIInChI=1S/C15H24N4O2/c1-10-7-14(19-15(16-2)17-10)18-12-9-20-6-5-13(12)21-8-11-3-4-11/h7,11-13H,3-6,8-9H2,1-2H3,(H2,16,17,18,19)/t12-,13+/m1/s1
InChIKeyKDFSHSHRLAAAJU-OLZOCXBDSA-N
XLogP1.82
TPSA68.30 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine (CID 91766556) is 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine is CNc1nc(C)cc(N[C@@H]2COCC[C@@H]2OCC2CC2)n1.
What is the InChIKey of 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine?
The InChIKey is KDFSHSHRLAAAJU-OLZOCXBDSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-10-7-14(19-15(16-2)17-10)18-12-9-20-6-5-13(12)21-8-11-3-4-11/h7,11-13H,3-6,8-9H2,1-2H3,(H2,16,17,18,19)/t12-,13+/m1/s1.
What are the key properties of 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine?
4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine has a molecular weight of 292.38 g/mol, XLogP of 1.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[(3R,4S)-4-(cyclopropylmethoxy)oxan-3-yl]-2-N,6-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 91766556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).