4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

C14H22N6 — CID 80986213

IUPAC4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC(C)Cn1ccnc1
InChIInChI=1S/C14H22N6/c1-9(2)13-18-12(15)11(4)14(19-13)17-10(3)7-20-6-5-16-8-20/h5-6,8-10H,7H2,1-4H3,(H3,15,17,18,19)
InChIKeyXXFVWEMAWGIPBL-UHFFFAOYSA-N
MW274.37 g/mol
LogP2.19
Rot. Bonds5

About 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine

4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 80986213) has the molecular formula C14H22N6 and a molecular weight of 274.37 g/mol. Its IUPAC name is 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
PubChem CID80986213
Molecular FormulaC14H22N6
Molecular Weight274.37 g/mol
Exact Mass274.19
IUPAC Name4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1c(N)nc(C(C)C)nc1NC(C)Cn1ccnc1
InChIInChI=1S/C14H22N6/c1-9(2)13-18-12(15)11(4)14(19-13)17-10(3)7-20-6-5-16-8-20/h5-6,8-10H,7H2,1-4H3,(H3,15,17,18,19)
InChIKeyXXFVWEMAWGIPBL-UHFFFAOYSA-N
XLogP2.19
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-N-(1-imidazol-1-ylpropan-2-yl)-6-N,5-dimethyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80985899
4-N-(4-imidazol-1-ylbutyl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80984374
6-chloro-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propylpyrimidin-4-amine
CID 80972117
N-(1-imidazol-1-ylpropan-2-yl)-6-methoxy-5-methylpyrimidin-4-amine
CID 66327883
2,3,4,5,6-pentafluoro-N-(1-imidazol-1-ylpropan-2-yl)aniline
CID 61482768
3,5,6-trichloro-N-(1-imidazol-1-ylpropan-2-yl)pyridin-2-amine
CID 102750662
5-N-(1-imidazol-1-ylpropan-2-yl)pyridine-2,5-diamine
CID 61479602
5-bromo-N-(1-imidazol-1-ylpropan-2-yl)-3-methylpyridin-2-amine
CID 79718384
6-chloro-4-N-(1-imidazol-1-ylpropan-2-yl)pyrimidine-2,4-diamine
CID 80736024
3-bromo-N-(1-imidazol-1-ylpropan-2-yl)-4-methylpyridin-2-amine
CID 106875615
N-(1-imidazol-1-ylpropan-2-yl)-3-methyl-1,2,4-oxadiazol-5-amine
CID 106659641
2-N-(1-imidazol-1-ylpropan-2-yl)-5-methylpyridine-2,4-diamine
CID 83266216

Frequently Asked Questions

What is the IUPAC name of 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine (CID 80986213) is 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is Cc1c(N)nc(C(C)C)nc1NC(C)Cn1ccnc1.
What is the InChIKey of 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is XXFVWEMAWGIPBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N6/c1-9(2)13-18-12(15)11(4)14(19-13)17-10(3)7-20-6-5-16-8-20/h5-6,8-10H,7H2,1-4H3,(H3,15,17,18,19).
What are the key properties of 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine?
4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 274.37 g/mol, XLogP of 2.19, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(1-imidazol-1-ylpropan-2-yl)-5-methyl-2-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 80986213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).