2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile

C18H24N6 — CID 169396692

IUPAC2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile
SMILESCC(C)N(Cc1ccccc1-c1nc(N)nc(N)c1C#N)C(C)C
InChIInChI=1S/C18H24N6/c1-11(2)24(12(3)4)10-13-7-5-6-8-14(13)16-15(9-19)17(20)23-18(21)22-16/h5-8,11-12H,10H2,1-4H3,(H4,20,21,22,23)
InChIKeyGIKVXMMBHPSPGX-UHFFFAOYSA-N
MW324.43 g/mol
LogP2.80
Rot. Bonds5

About 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile

2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile (PubChem CID 169396692) has the molecular formula C18H24N6 and a molecular weight of 324.43 g/mol. Its IUPAC name is 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile
PubChem CID169396692
Molecular FormulaC18H24N6
Molecular Weight324.43 g/mol
Exact Mass324.21
IUPAC Name2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile
SMILESCC(C)N(Cc1ccccc1-c1nc(N)nc(N)c1C#N)C(C)C
InChIInChI=1S/C18H24N6/c1-11(2)24(12(3)4)10-13-7-5-6-8-14(13)16-15(9-19)17(20)23-18(21)22-16/h5-8,11-12H,10H2,1-4H3,(H4,20,21,22,23)
InChIKeyGIKVXMMBHPSPGX-UHFFFAOYSA-N
XLogP2.80
TPSA104.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile?
The IUPAC name of 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile (CID 169396692) is 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile.
What is the SMILES notation for 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile?
The canonical SMILES for 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile is CC(C)N(Cc1ccccc1-c1nc(N)nc(N)c1C#N)C(C)C.
What is the InChIKey of 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile?
The InChIKey is GIKVXMMBHPSPGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6/c1-11(2)24(12(3)4)10-13-7-5-6-8-14(13)16-15(9-19)17(20)23-18(21)22-16/h5-8,11-12H,10H2,1-4H3,(H4,20,21,22,23).
What are the key properties of 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile?
2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile has a molecular weight of 324.43 g/mol, XLogP of 2.80, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-6-[2-[[di(propan-2-yl)amino]methyl]phenyl]pyrimidine-5-carbonitrile is sourced from PubChem (CID 169396692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).