4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine

C14H24N4 — CID 80821292

IUPAC4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(CC1CC1)C(C)C
InChIInChI=1S/C14H24N4/c1-4-5-12-13(15)16-9-17-14(12)18(10(2)3)8-11-6-7-11/h9-11H,4-8H2,1-3H3,(H2,15,16,17)
InChIKeyUQHJRVVFNJPADV-UHFFFAOYSA-N
MW248.37 g/mol
LogP2.64
Rot. Bonds6

About 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine

4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine (PubChem CID 80821292) has the molecular formula C14H24N4 and a molecular weight of 248.37 g/mol. Its IUPAC name is 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine
PubChem CID80821292
Molecular FormulaC14H24N4
Molecular Weight248.37 g/mol
Exact Mass248.20
IUPAC Name4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine
SMILESCCCc1c(N)ncnc1N(CC1CC1)C(C)C
InChIInChI=1S/C14H24N4/c1-4-5-12-13(15)16-9-17-14(12)18(10(2)3)8-11-6-7-11/h9-11H,4-8H2,1-3H3,(H2,15,16,17)
InChIKeyUQHJRVVFNJPADV-UHFFFAOYSA-N
XLogP2.64
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-cyclopropyl-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80774560
4-N-butan-2-yl-4-N-butyl-5-propylpyrimidine-4,6-diamine
CID 80821387
4-N-methyl-4-N-(oxan-4-yl)-5-propylpyrimidine-4,6-diamine
CID 80789465
4-N-cyclopropyl-4-N,5-dipropylpyrimidine-4,6-diamine
CID 80774677
6-chloro-N-(cyclopropylmethyl)-5-methyl-N-propan-2-ylpyrimidin-4-amine
CID 63730353
2-[(6-amino-5-ethylpyrimidin-4-yl)-propan-2-ylamino]ethanol
CID 80811308
4-N-(2-bicyclo[2.2.1]heptanylmethyl)-4-N-methyl-5-propylpyrimidine-4,6-diamine
CID 80833913
6-(2-cyclopropylethoxy)-5-propylpyrimidin-4-amine
CID 106207430
2-N-(cyclopropylmethyl)-5-methyl-2-N-propan-2-ylpyridine-2,3-diamine
CID 66280411
4-N-[2-(dimethylamino)ethyl]-4-N-(2-methylpropyl)-5-propylpyrimidine-4,6-diamine
CID 80814927
3-bromo-2-N-(cyclopropylmethyl)-4-methyl-2-N-propan-2-ylpyridine-2,5-diamine
CID 104506635
6-chloro-N-(cyclopropylmethyl)-N-ethyl-5-propylpyrimidin-4-amine
CID 63956110

Frequently Asked Questions

What is the IUPAC name of 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine?
The IUPAC name of 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine (CID 80821292) is 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine is CCCc1c(N)ncnc1N(CC1CC1)C(C)C.
What is the InChIKey of 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine?
The InChIKey is UQHJRVVFNJPADV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4/c1-4-5-12-13(15)16-9-17-14(12)18(10(2)3)8-11-6-7-11/h9-11H,4-8H2,1-3H3,(H2,15,16,17).
What are the key properties of 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine?
4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine has a molecular weight of 248.37 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(cyclopropylmethyl)-4-N-propan-2-yl-5-propylpyrimidine-4,6-diamine is sourced from PubChem (CID 80821292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).