4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine

C15H29N5 — CID 80814927

IUPAC4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(CCN(C)C)CC(C)C
InChIInChI=1S/C15H29N5/c1-6-7-13-14(16)17-11-18-15(13)20(10-12(2)3)9-8-19(4)5/h11-12H,6-10H2,1-5H3,(H2,16,17,18)
InChIKeyCXCPSUOSHSQWEN-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.04
Rot. Bonds8

About 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine

4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine (PubChem CID 80814927) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine
PubChem CID80814927
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(CCN(C)C)CC(C)C
InChIInChI=1S/C15H29N5/c1-6-7-13-14(16)17-11-18-15(13)20(10-12(2)3)9-8-19(4)5/h11-12H,6-10H2,1-5H3,(H2,16,17,18)
InChIKeyCXCPSUOSHSQWEN-UHFFFAOYSA-N
XLogP2.04
TPSA58.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine (CID 80814927) is 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1N(CCN(C)C)CC(C)C.
What is the InChIKey of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine?
The InChIKey is CXCPSUOSHSQWEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-7-13-14(16)17-11-18-15(13)20(10-12(2)3)9-8-19(4)5/h11-12H,6-10H2,1-5H3,(H2,16,17,18).
What are the key properties of 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine?
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.04, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80814927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).