N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

C14H19N5O — CID 125170663

IUPACN-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCn1ccnc1CCNc1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C14H19N5O/c1-19-6-5-16-14(19)2-4-15-13-8-12(17-10-18-13)11-3-7-20-9-11/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,15,17,18)/t11-/m1/s1
InChIKeyIBNBTCNFNQTUHZ-LLVKDONJSA-N
MW273.34 g/mol
LogP1.37
Rot. Bonds5

About N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine

N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (PubChem CID 125170663) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
PubChem CID125170663
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC NameN-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine
SMILESCn1ccnc1CCNc1cc([C@@H]2CCOC2)ncn1
InChIInChI=1S/C14H19N5O/c1-19-6-5-16-14(19)2-4-15-13-8-12(17-10-18-13)11-3-7-20-9-11/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,15,17,18)/t11-/m1/s1
InChIKeyIBNBTCNFNQTUHZ-LLVKDONJSA-N
XLogP1.37
TPSA64.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine (CID 125170663) is N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is Cn1ccnc1CCNc1cc([C@@H]2CCOC2)ncn1.
What is the InChIKey of N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
The InChIKey is IBNBTCNFNQTUHZ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H19N5O/c1-19-6-5-16-14(19)2-4-15-13-8-12(17-10-18-13)11-3-7-20-9-11/h5-6,8,10-11H,2-4,7,9H2,1H3,(H,15,17,18)/t11-/m1/s1.
What are the key properties of N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine?
N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine has a molecular weight of 273.34 g/mol, XLogP of 1.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-methylimidazol-2-yl)ethyl]-6-[(3S)-oxolan-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 125170663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).