N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine

C16H24N4O — CID 83179075

IUPACN-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
SMILESCc1nc(N(C)Cc2ccco2)ncc1CNCC(C)C
InChIInChI=1S/C16H24N4O/c1-12(2)8-17-9-14-10-18-16(19-13(14)3)20(4)11-15-6-5-7-21-15/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyJHUOEZSCEMMRDF-UHFFFAOYSA-N
MW288.39 g/mol
LogP2.76
Rot. Bonds7

About N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine

N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine (PubChem CID 83179075) has the molecular formula C16H24N4O and a molecular weight of 288.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
PubChem CID83179075
Molecular FormulaC16H24N4O
Molecular Weight288.39 g/mol
Exact Mass288.20
IUPAC NameN-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
SMILESCc1nc(N(C)Cc2ccco2)ncc1CNCC(C)C
InChIInChI=1S/C16H24N4O/c1-12(2)8-17-9-14-10-18-16(19-13(14)3)20(4)11-15-6-5-7-21-15/h5-7,10,12,17H,8-9,11H2,1-4H3
InChIKeyJHUOEZSCEMMRDF-UHFFFAOYSA-N
XLogP2.76
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.39
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(ethylaminomethyl)-N-(furan-2-ylmethyl)-N,4-dimethylpyrimidin-2-amine
CID 83186463
N,4-dimethyl-5-[(2-methylpropylamino)methyl]-N-propan-2-ylpyrimidin-2-amine
CID 83186354
N-(furan-2-ylmethyl)-N-methyl-6-[(2-methylpropylamino)methyl]pyrazin-2-amine
CID 66457795
N-[(4-bromothiophen-2-yl)methyl]-5-(ethylaminomethyl)-N,4-dimethylpyrimidin-2-amine
CID 83185537
4-methyl-5-[(2-methylpropylamino)methyl]-N-propan-2-yl-N-prop-2-enylpyrimidin-2-amine
CID 83188795
2-methyl-N-[[4-methyl-2-[(6-methyl-3-pyridinyl)oxy]pyrimidin-5-yl]methyl]propan-1-amine
CID 83185861
N-(cyclobutylmethyl)-N-ethyl-4-methyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine
CID 107401794
4-(aminomethyl)-N-(furan-2-ylmethyl)-N-methylpyrimidin-2-amine
CID 107541586
N,4-dimethyl-N-(3-methylbutyl)-5-(propylaminomethyl)pyrimidin-2-amine
CID 83185277
N-cyclopropyl-4-methyl-5-[(2-methylpropylamino)methyl]-N-propylpyrimidin-2-amine
CID 83185783
3-N-(furan-2-ylmethyl)-3-N,2-dimethyl-1-N-(2-methylpropyl)butane-1,3-diamine
CID 81011655
N-(furan-2-ylmethyl)-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 55112489

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
The IUPAC name of N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine (CID 83179075) is N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine.
What is the SMILES notation for N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
The canonical SMILES for N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine is Cc1nc(N(C)Cc2ccco2)ncc1CNCC(C)C.
What is the InChIKey of N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
The InChIKey is JHUOEZSCEMMRDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O/c1-12(2)8-17-9-14-10-18-16(19-13(14)3)20(4)11-15-6-5-7-21-15/h5-7,10,12,17H,8-9,11H2,1-4H3.
What are the key properties of N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine?
N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine has a molecular weight of 288.39 g/mol, XLogP of 2.76, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N,4-dimethyl-5-[(2-methylpropylamino)methyl]pyrimidin-2-amine is sourced from PubChem (CID 83179075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).