4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

C15H29N5 — CID 64831242

IUPAC4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C15H29N5/c1-6-20(7-2)12-8-9-13(3)17-14-10-11-16-15(18-14)19(4)5/h10-11,13H,6-9,12H2,1-5H3,(H,16,17,18)
InChIKeyMCGUNPPWRLRJQZ-UHFFFAOYSA-N
MW279.43 g/mol
LogP2.46
Rot. Bonds9

About 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine

4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (PubChem CID 64831242) has the molecular formula C15H29N5 and a molecular weight of 279.43 g/mol. Its IUPAC name is 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
PubChem CID64831242
Molecular FormulaC15H29N5
Molecular Weight279.43 g/mol
Exact Mass279.24
IUPAC Name4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine
SMILESCCN(CC)CCCC(C)Nc1ccnc(N(C)C)n1
InChIInChI=1S/C15H29N5/c1-6-20(7-2)12-8-9-13(3)17-14-10-11-16-15(18-14)19(4)5/h10-11,13H,6-9,12H2,1-5H3,(H,16,17,18)
InChIKeyMCGUNPPWRLRJQZ-UHFFFAOYSA-N
XLogP2.46
TPSA44.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.43
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-N-(4-chlorobutan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 83187042
(4S)-1-N,1-N-diethyl-4-N-quinolin-2-ylpentane-1,4-diamine
CID 36691119
(4R)-1-N,1-N-diethyl-4-N-pyridin-2-ylpentane-1,4-diamine
CID 40545835
2-N,2-N-dimethyl-4-N-(4-methylsulfonylbutan-2-yl)pyrimidine-2,4-diamine
CID 132969306
1-N,1-N-diethyl-4-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,4-diamine
CID 60732509
2-N,2-N-dimethyl-4-N-propan-2-ylpyrimidine-2,4-diamine
CID 64829275
1-N,1-N-diethyl-4-N-(5-methyl-2-pyridinyl)pentane-1,4-diamine
CID 43095595
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,5-diamine
CID 43115432
4-N-(1-cyclopropylpropan-2-yl)-2-N,2-N-dimethylpyrimidine-2,4-diamine
CID 64830676
2-N-[5-(diethylamino)pentan-2-yl]pyridine-2,3,4-triamine;hydrochloride
CID 54606444
4-N-[5-(diethylamino)pentan-2-yl]pyrimidine-2,4,6-triamine
CID 80785658
6-[5-(diethylamino)pentan-2-ylamino]pyridine-3-carbonitrile
CID 24692421

Frequently Asked Questions

What is the IUPAC name of 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The IUPAC name of 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine (CID 64831242) is 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine.
What is the SMILES notation for 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The canonical SMILES for 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is CCN(CC)CCCC(C)Nc1ccnc(N(C)C)n1.
What is the InChIKey of 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
The InChIKey is MCGUNPPWRLRJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H29N5/c1-6-20(7-2)12-8-9-13(3)17-14-10-11-16-15(18-14)19(4)5/h10-11,13H,6-9,12H2,1-5H3,(H,16,17,18).
What are the key properties of 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine?
4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine has a molecular weight of 279.43 g/mol, XLogP of 2.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-[5-(diethylamino)pentan-2-yl]-2-N,2-N-dimethylpyrimidine-2,4-diamine is sourced from PubChem (CID 64831242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).