4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

C16H30N4 — CID 80967348

IUPAC4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(CC)CC)nc(C(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-10-17-14-11-15(19-16(18-14)12(4)5)20(6)13(8-2)9-3/h11-13H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyDVHGQAGLRRUECV-UHFFFAOYSA-N
MW278.44 g/mol
LogP4.05
Rot. Bonds8

About 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine

4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80967348) has the molecular formula C16H30N4 and a molecular weight of 278.44 g/mol. Its IUPAC name is 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
PubChem CID80967348
Molecular FormulaC16H30N4
Molecular Weight278.44 g/mol
Exact Mass278.25
IUPAC Name4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(N(C)C(CC)CC)nc(C(C)C)n1
InChIInChI=1S/C16H30N4/c1-7-10-17-14-11-15(19-16(18-14)12(4)5)20(6)13(8-2)9-3/h11-13H,7-10H2,1-6H3,(H,17,18,19)
InChIKeyDVHGQAGLRRUECV-UHFFFAOYSA-N
XLogP4.05
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.44
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N,6-N-dimethyl-4-N-pentan-3-yl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967077
4-N-cyclopropyl-4-N-methyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967123
1-[methyl-[2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propan-2-ol
CID 80957681
6-N-ethyl-4-N-methyl-4-N-(3-methylbutan-2-yl)-2-propan-2-ylpyrimidine-4,6-diamine
CID 80967785
4-N-butyl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80955537
6-methyl-2-propan-2-yl-N-propylpyrimidin-4-amine
CID 43395265
4-N-[4-(dimethylamino)butyl]-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80967029
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-2,4,6-triamine
CID 80776337
4-N-(3,3-dimethylbutan-2-yl)-6-N-ethyl-4-N-methyl-2-propan-2-ylpyrimidine-4,6-diamine
CID 80961199
4-N-(3-methylbutyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80956885
4-N-cyclopropyl-4-N-(cyclopropylmethyl)-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80960250
2-ethyl-4-N-methyl-4-N-propan-2-yl-6-N-propylpyrimidine-4,6-diamine
CID 80933924

Frequently Asked Questions

What is the IUPAC name of 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine (CID 80967348) is 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(N(C)C(CC)CC)nc(C(C)C)n1.
What is the InChIKey of 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is DVHGQAGLRRUECV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4/c1-7-10-17-14-11-15(19-16(18-14)12(4)5)20(6)13(8-2)9-3/h11-13H,7-10H2,1-6H3,(H,17,18,19).
What are the key properties of 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine?
4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 278.44 g/mol, XLogP of 4.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-methyl-4-N-pentan-3-yl-2-propan-2-yl-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80967348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).