N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine

C12H20N4O — CID 112639469

IUPACN'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1ccnc(N(CCN)C2CC2)n1
InChIInChI=1S/C12H20N4O/c1-2-9-17-11-5-7-14-12(15-11)16(8-6-13)10-3-4-10/h5,7,10H,2-4,6,8-9,13H2,1H3
InChIKeySBNLUNSARWDTNW-UHFFFAOYSA-N
MW236.32 g/mol
LogP1.19
Rot. Bonds7

About N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine

N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine (PubChem CID 112639469) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine.

Molecular Properties

Compound NameN'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
PubChem CID112639469
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
SMILESCCCOc1ccnc(N(CCN)C2CC2)n1
InChIInChI=1S/C12H20N4O/c1-2-9-17-11-5-7-14-12(15-11)16(8-6-13)10-3-4-10/h5,7,10H,2-4,6,8-9,13H2,1H3
InChIKeySBNLUNSARWDTNW-UHFFFAOYSA-N
XLogP1.19
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 51.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl-(4-propoxypyrimidin-2-yl)amino]propanoic acid
CID 112635990
4-N-(4-ethoxypyrimidin-2-yl)-4-N-propylcyclohexane-1,4-diamine
CID 115975442
4-propoxy-N-propyl-N-pyrrolidin-3-ylpyrimidin-2-amine
CID 112638621
N-(2-bromoethyl)-N-cyclopropyl-4-ethoxypyrimidin-2-amine
CID 112639352
N'-butyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine
CID 112639107
4-(aminomethyl)-N-cyclopropyl-N-propylpyrimidin-2-amine
CID 107541562
2-N-cyclopropyl-2-N-propylpyrimidine-2,4-diamine
CID 116796417
N-(2-bromoethyl)-N-methyl-4-propoxypyrimidin-2-amine
CID 112639376
N-(2-chloroethyl)-N-cyclopentyl-4-methoxypyrimidin-2-amine
CID 63388459
4-N-ethyl-4-N-(4-propan-2-yloxypyrimidin-2-yl)cyclohexane-1,4-diamine
CID 115975439
4-propoxypyrimidin-2-amine
CID 79002172
N-(2-chloroethyl)-4-propoxy-N-propylpyrimidin-2-amine
CID 112639203

Frequently Asked Questions

What is the IUPAC name of N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The IUPAC name of N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine (CID 112639469) is N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine.
What is the SMILES notation for N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The canonical SMILES for N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine is CCCOc1ccnc(N(CCN)C2CC2)n1.
What is the InChIKey of N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
The InChIKey is SBNLUNSARWDTNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-2-9-17-11-5-7-14-12(15-11)16(8-6-13)10-3-4-10/h5,7,10H,2-4,6,8-9,13H2,1H3.
What are the key properties of N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine?
N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine has a molecular weight of 236.32 g/mol, XLogP of 1.19, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-cyclopropyl-N'-(4-propoxypyrimidin-2-yl)ethane-1,2-diamine is sourced from PubChem (CID 112639469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).