2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine

C12H17N5O — CID 91018803

IUPAC2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccco1)c1ccnc(NCCN)n1
InChIInChI=1S/C12H17N5O/c1-17(9-10-3-2-8-18-10)11-4-6-14-12(16-11)15-7-5-13/h2-4,6,8H,5,7,9,13H2,1H3,(H,14,15,16)
InChIKeyMDXHRBSNZBZWGP-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.08
Rot. Bonds6

About 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine

2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine (PubChem CID 91018803) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine
PubChem CID91018803
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC Name2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine
SMILESCN(Cc1ccco1)c1ccnc(NCCN)n1
InChIInChI=1S/C12H17N5O/c1-17(9-10-3-2-8-18-10)11-4-6-14-12(16-11)15-7-5-13/h2-4,6,8H,5,7,9,13H2,1H3,(H,14,15,16)
InChIKeyMDXHRBSNZBZWGP-UHFFFAOYSA-N
XLogP1.08
TPSA80.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(2-aminoethyl)-4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]pyrimidine-2,4-diamine
CID 91315235
6-N-(furan-2-ylmethyl)-6-N-methylpyridine-2,3,6-triamine
CID 79828230
2-N-(furan-2-ylmethyl)-4-N-methyl-4-N-(2-pyridin-4-ylethyl)pyrimidine-2,4-diamine
CID 112889297
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
N-[4-(azepan-1-yl)pyrimidin-2-yl]-N'-(furan-2-ylmethyl)-N'-methylethane-1,2-diamine
CID 66903339
4-N-[(2-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794160
4-N-methyl-2-N-propyl-4-N-(pyridin-2-ylmethyl)pyrimidine-2,4-diamine
CID 80788617
6-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyridazin-3-amine
CID 62301068
4-N-methyl-4-N-[(6-methyl-2-pyridinyl)methyl]-2-N-propylpyrimidine-2,4-diamine
CID 80852291
4-N-ethyl-2-N-(furan-2-ylmethyl)-4-N-phenylpyrimidine-2,4-diamine
CID 112889343
4-N-[(4-fluorophenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80794598
4-N-[(2-methoxyphenyl)methyl]-4-N-methyl-2-N-propylpyrimidine-2,4-diamine
CID 80778639

Frequently Asked Questions

What is the IUPAC name of 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine?
The IUPAC name of 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine (CID 91018803) is 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine is CN(Cc1ccco1)c1ccnc(NCCN)n1.
What is the InChIKey of 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine?
The InChIKey is MDXHRBSNZBZWGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-17(9-10-3-2-8-18-10)11-4-6-14-12(16-11)15-7-5-13/h2-4,6,8H,5,7,9,13H2,1H3,(H,14,15,16).
What are the key properties of 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine?
2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine has a molecular weight of 247.30 g/mol, XLogP of 1.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(2-aminoethyl)-4-N-(furan-2-ylmethyl)-4-N-methylpyrimidine-2,4-diamine is sourced from PubChem (CID 91018803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).