4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine

C14H27N5 — CID 80786245

IUPAC4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(C)(C)CN(C)C)ncn1
InChIInChI=1S/C14H27N5/c1-6-7-15-12-8-13(18-11-17-12)16-9-14(2,3)10-19(4)5/h8,11H,6-7,9-10H2,1-5H3,(H2,15,16,17,18)
InChIKeyFIMNPKXBLLWBFO-UHFFFAOYSA-N
MW265.40 g/mol
LogP2.30
Rot. Bonds8

About 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine

4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine (PubChem CID 80786245) has the molecular formula C14H27N5 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine
PubChem CID80786245
Molecular FormulaC14H27N5
Molecular Weight265.40 g/mol
Exact Mass265.23
IUPAC Name4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine
SMILESCCCNc1cc(NCC(C)(C)CN(C)C)ncn1
InChIInChI=1S/C14H27N5/c1-6-7-15-12-8-13(18-11-17-12)16-9-14(2,3)10-19(4)5/h8,11H,6-7,9-10H2,1-5H3,(H2,15,16,17,18)
InChIKeyFIMNPKXBLLWBFO-UHFFFAOYSA-N
XLogP2.30
TPSA53.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine (CID 80786245) is 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine is CCCNc1cc(NCC(C)(C)CN(C)C)ncn1.
What is the InChIKey of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine?
The InChIKey is FIMNPKXBLLWBFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27N5/c1-6-7-15-12-8-13(18-11-17-12)16-9-14(2,3)10-19(4)5/h8,11H,6-7,9-10H2,1-5H3,(H2,15,16,17,18).
What are the key properties of 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine?
4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine has a molecular weight of 265.40 g/mol, XLogP of 2.30, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[3-(dimethylamino)-2,2-dimethylpropyl]-6-N-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80786245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).