N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine

C13H22N4 — CID 113491544

IUPACN-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cc(C(C)C)nc(NCCNC2CC2)n1
InChIInChI=1S/C13H22N4/c1-9(2)12-8-10(3)16-13(17-12)15-7-6-14-11-4-5-11/h8-9,11,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDFVRLXSYCZJEHY-UHFFFAOYSA-N
MW234.35 g/mol
LogP2.07
Rot. Bonds6

About N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine

N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 113491544) has the molecular formula C13H22N4 and a molecular weight of 234.35 g/mol. Its IUPAC name is N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine
PubChem CID113491544
Molecular FormulaC13H22N4
Molecular Weight234.35 g/mol
Exact Mass234.18
IUPAC NameN-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine
SMILESCc1cc(C(C)C)nc(NCCNC2CC2)n1
InChIInChI=1S/C13H22N4/c1-9(2)12-8-10(3)16-13(17-12)15-7-6-14-11-4-5-11/h8-9,11,14H,4-7H2,1-3H3,(H,15,16,17)
InChIKeyDFVRLXSYCZJEHY-UHFFFAOYSA-N
XLogP2.07
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-methyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)-N'-propan-2-ylethane-1,2-diamine
CID 113491499
N-[(3-aminocyclopentyl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 106127087
N-cycloheptyl-N'-(4-methoxy-6-methylpyrimidin-2-yl)ethane-1,2-diamine
CID 115973571
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491491
N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107390199
2,2-dimethyl-N-(4-methyl-6-propan-2-ylpyrimidin-2-yl)pentane-1,5-diamine
CID 106142913
N-(1-cyclopropylbutan-2-yl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491506
N-cyclopropyl-3-[(4,6-dimethylpyrimidin-2-yl)amino]propanamide
CID 79393988
N-[(2,2-dimethyl-1,3-dioxolan-4-yl)methyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107389737
3-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]oxolan-3-ol
CID 106102101
1-[2-[(4,6-dimethylpyrimidin-2-yl)amino]ethylamino]propan-2-ol
CID 104594461
6-methyl-4-N-(4-methylcyclohexyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773371

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine (CID 113491544) is N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine is Cc1cc(C(C)C)nc(NCCNC2CC2)n1.
What is the InChIKey of N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is DFVRLXSYCZJEHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4/c1-9(2)12-8-10(3)16-13(17-12)15-7-6-14-11-4-5-11/h8-9,11,14H,4-7H2,1-3H3,(H,15,16,17).
What are the key properties of N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine?
N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 234.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-N'-(4-methyl-6-propan-2-ylpyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 113491544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).