6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine

C11H17BrN4 — CID 116796564

IUPAC6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(N)cc(Br)n1
InChIInChI=1S/C11H17BrN4/c1-2-5-16(7-8-3-4-8)11-14-9(12)6-10(13)15-11/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyLPHRCOJSPFYJMK-UHFFFAOYSA-N
MW285.19 g/mol
LogP2.45
Rot. Bonds5

About 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine

6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine (PubChem CID 116796564) has the molecular formula C11H17BrN4 and a molecular weight of 285.19 g/mol. Its IUPAC name is 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
PubChem CID116796564
Molecular FormulaC11H17BrN4
Molecular Weight285.19 g/mol
Exact Mass284.06
IUPAC Name6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine
SMILESCCCN(CC1CC1)c1nc(N)cc(Br)n1
InChIInChI=1S/C11H17BrN4/c1-2-5-16(7-8-3-4-8)11-14-9(12)6-10(13)15-11/h6,8H,2-5,7H2,1H3,(H2,13,14,15)
InChIKeyLPHRCOJSPFYJMK-UHFFFAOYSA-N
XLogP2.45
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.19
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-2-N-(cyclopropylmethyl)-2-N-methylpyrimidine-2,4-diamine
CID 116796497
methyl 2-[(4-amino-6-bromopyrimidin-2-yl)-propylamino]acetate
CID 116796533
2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,5-diamine
CID 61146606
6-N-(cyclopropylmethyl)-6-N-propylpyridine-2,6-diamine
CID 80647313
2-[cyclopropylmethyl(propyl)amino]-6-methylpyrimidine-4-carbothioamide
CID 107546828
3-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyridine-2,5-diamine
CID 79531954
6-bromo-2-N-cyclobutyl-2-N-methylpyrimidine-2,4-diamine
CID 116797489
6-chloro-4-N-(cyclopropylmethyl)-4-N-propylpyrimidine-2,4-diamine
CID 80735508
4-N-(cyclopropylmethyl)-2-methyl-4-N-propylbenzene-1,4-diamine
CID 43587994
3-N-(cyclopropylmethyl)-3-N-propylpyrazine-2,3-diamine
CID 102985764
5-bromo-N-(piperidin-4-ylmethyl)-N-propylpyrimidin-2-amine
CID 79719331
2-N,2-N-bis(cyclopropylmethyl)pyrimidine-2,4-diamine
CID 116796967

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The IUPAC name of 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine (CID 116796564) is 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine.
What is the SMILES notation for 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The canonical SMILES for 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine is CCCN(CC1CC1)c1nc(N)cc(Br)n1.
What is the InChIKey of 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine?
The InChIKey is LPHRCOJSPFYJMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN4/c1-2-5-16(7-8-3-4-8)11-14-9(12)6-10(13)15-11/h6,8H,2-5,7H2,1H3,(H2,13,14,15).
What are the key properties of 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine?
6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine has a molecular weight of 285.19 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-N-(cyclopropylmethyl)-2-N-propylpyrimidine-2,4-diamine is sourced from PubChem (CID 116796564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).