6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

C13H25N5 — CID 115266433

IUPAC6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)CN)cc(N(C)C(C)C)n1
InChIInChI=1S/C13H25N5/c1-9(2)18(5)13-6-12(16-11(4)17-13)15-8-10(3)7-14/h6,9-10H,7-8,14H2,1-5H3,(H,15,16,17)
InChIKeySRTRHSFYKWNZHR-UHFFFAOYSA-N
MW251.38 g/mol
LogP1.64
Rot. Bonds6

About 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine

6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (PubChem CID 115266433) has the molecular formula C13H25N5 and a molecular weight of 251.38 g/mol. Its IUPAC name is 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
PubChem CID115266433
Molecular FormulaC13H25N5
Molecular Weight251.38 g/mol
Exact Mass251.21
IUPAC Name6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
SMILESCc1nc(NCC(C)CN)cc(N(C)C(C)C)n1
InChIInChI=1S/C13H25N5/c1-9(2)18(5)13-6-12(16-11(4)17-13)15-8-10(3)7-14/h6,9-10H,7-8,14H2,1-5H3,(H,15,16,17)
InChIKeySRTRHSFYKWNZHR-UHFFFAOYSA-N
XLogP1.64
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The IUPAC name of 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine (CID 115266433) is 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The canonical SMILES for 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is Cc1nc(NCC(C)CN)cc(N(C)C(C)C)n1.
What is the InChIKey of 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
The InChIKey is SRTRHSFYKWNZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5/c1-9(2)18(5)13-6-12(16-11(4)17-13)15-8-10(3)7-14/h6,9-10H,7-8,14H2,1-5H3,(H,15,16,17).
What are the key properties of 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine?
6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine has a molecular weight of 251.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine is sourced from PubChem (CID 115266433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).