(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol

C10H15ClN4O — CID 164639238

IUPAC(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol
SMILESC[C@](O)(CNc1ncnc(N)c1Cl)C1CC1
InChIInChI=1S/C10H15ClN4O/c1-10(16,6-2-3-6)4-13-9-7(11)8(12)14-5-15-9/h5-6,16H,2-4H2,1H3,(H3,12,13,14,15)/t10-/m0/s1
InChIKeyTYXSKVCSGFHEPN-JTQLQIEISA-N
MW242.71 g/mol
LogP1.29
Rot. Bonds4

About (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol

(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol (PubChem CID 164639238) has the molecular formula C10H15ClN4O and a molecular weight of 242.71 g/mol. Its IUPAC name is (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol.

Molecular Properties

Compound Name(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol
PubChem CID164639238
Molecular FormulaC10H15ClN4O
Molecular Weight242.71 g/mol
Exact Mass242.09
IUPAC Name(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol
SMILESC[C@](O)(CNc1ncnc(N)c1Cl)C1CC1
InChIInChI=1S/C10H15ClN4O/c1-10(16,6-2-3-6)4-13-9-7(11)8(12)14-5-15-9/h5-6,16H,2-4H2,1H3,(H3,12,13,14,15)/t10-/m0/s1
InChIKeyTYXSKVCSGFHEPN-JTQLQIEISA-N
XLogP1.29
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.71
LogP ≤ 51.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol?
The IUPAC name of (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol (CID 164639238) is (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol.
What is the SMILES notation for (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol?
The canonical SMILES for (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol is C[C@](O)(CNc1ncnc(N)c1Cl)C1CC1.
What is the InChIKey of (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol?
The InChIKey is TYXSKVCSGFHEPN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H15ClN4O/c1-10(16,6-2-3-6)4-13-9-7(11)8(12)14-5-15-9/h5-6,16H,2-4H2,1H3,(H3,12,13,14,15)/t10-/m0/s1.
What are the key properties of (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol?
(2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol has a molecular weight of 242.71 g/mol, XLogP of 1.29, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[(6-amino-5-chloropyrimidin-4-yl)amino]-2-cyclopropylpropan-2-ol is sourced from PubChem (CID 164639238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).