4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine

C12H18N6O — CID 50949997

IUPAC4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N(C)Cc2ncc[nH]2)nc(N)n1
InChIInChI=1S/C12H18N6O/c1-8(2)19-11-6-10(16-12(13)17-11)18(3)7-9-14-4-5-15-9/h4-6,8H,7H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyIKTXWYUSVGTJQD-UHFFFAOYSA-N
MW262.32 g/mol
LogP1.21
Rot. Bonds5

About 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine

4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine (PubChem CID 50949997) has the molecular formula C12H18N6O and a molecular weight of 262.32 g/mol. Its IUPAC name is 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine
PubChem CID50949997
Molecular FormulaC12H18N6O
Molecular Weight262.32 g/mol
Exact Mass262.15
IUPAC Name4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine
SMILESCC(C)Oc1cc(N(C)Cc2ncc[nH]2)nc(N)n1
InChIInChI=1S/C12H18N6O/c1-8(2)19-11-6-10(16-12(13)17-11)18(3)7-9-14-4-5-15-9/h4-6,8H,7H2,1-3H3,(H,14,15)(H2,13,16,17)
InChIKeyIKTXWYUSVGTJQD-UHFFFAOYSA-N
XLogP1.21
TPSA92.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.32
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine?
The IUPAC name of 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine (CID 50949997) is 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine?
The canonical SMILES for 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine is CC(C)Oc1cc(N(C)Cc2ncc[nH]2)nc(N)n1.
What is the InChIKey of 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine?
The InChIKey is IKTXWYUSVGTJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6O/c1-8(2)19-11-6-10(16-12(13)17-11)18(3)7-9-14-4-5-15-9/h4-6,8H,7H2,1-3H3,(H,14,15)(H2,13,16,17).
What are the key properties of 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine?
4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine has a molecular weight of 262.32 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1H-imidazol-2-ylmethyl)-4-N-methyl-6-propan-2-yloxypyrimidine-2,4-diamine is sourced from PubChem (CID 50949997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).